3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol

C11H15N3O — CID 2053602

IUPAC3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
SMILESCc1ccc2nc(NCCCO)[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-8-3-4-9-10(7-8)14-11(13-9)12-5-2-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14)
InChIKeyQJZMLNRFAVEYRV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.67
Rot. Bonds4

About 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol

3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol (PubChem CID 2053602) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
PubChem CID2053602
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
SMILESCc1ccc2nc(NCCCO)[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-8-3-4-9-10(7-8)14-11(13-9)12-5-2-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14)
InChIKeyQJZMLNRFAVEYRV-UHFFFAOYSA-N
XLogP1.67
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
3-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309029
N-butyl-6-iodo-1H-benzimidazol-2-amine
CID 162670767
(6-methyl-1H-benzimidazol-2-yl)thiourea
CID 6917301
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
CID 82562545
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazol-2-amine
CID 82564341
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
CID 82562546

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol (CID 2053602) is 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol is Cc1ccc2nc(NCCCO)[nH]c2c1.
What is the InChIKey of 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol?
The InChIKey is QJZMLNRFAVEYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-3-4-9-10(7-8)14-11(13-9)12-5-2-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol?
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 2053602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).